(2E)-2-[(3,4-Dihydroxyphenyl)Methylidene]-6-Hydroxy-1-Benzofuran-3-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL513487 | |
| PubChem: | 5321560 | |
| IUPAC: | (2E)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one | |
| Standard InChI: | InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6+ | |
| Standard InChI Key: | RGNXWPVNPFAADO-MKMNVTDBSA-N | |
| SMILES: | Oc1ccc2c(c1)O/C(=C/c1ccc(c(c1)O)O)/C2=O | |
Molecular propeties
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| AlogP: | 2.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 270.05 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |